update log file
This commit is contained in:
Axel Kohlmeyer
@ -1,4 +1,6 @@
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LAMMPS (17 Feb 2022)
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LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-653-ge4a654c7cd-modified)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
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using 1 OpenMP thread(s) per MPI task
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#===========================================================================#
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#===========================================================================#
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# Toy car driving down a system with a floor and ceiling. #
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# Toy car driving down a system with a floor and ceiling. #
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# #
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# #
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@ -12,6 +14,7 @@ units cgs
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dimension 3
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dimension 3
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boundary p p f
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boundary p p f
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atom_style atomic
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atom_style atomic
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processors * 1 *
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#-------------------------------------------------------------------------#
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#-------------------------------------------------------------------------#
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# Set up the simulation box
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# Set up the simulation box
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@ -36,7 +39,7 @@ region mybox block -48 48 -90 630 -9 ${zh}
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region mybox block -48 48 -90 630 -9 87
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region mybox block -48 48 -90 630 -9 87
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create_box 14 mybox
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create_box 14 mybox
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Created orthogonal box = (-48 -90 -9) to (48 630 87)
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Created orthogonal box = (-48 -90 -9) to (48 630 87)
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1 by 4 by 1 MPI processor grid
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2 by 1 by 2 MPI processor grid
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#-------------------------------------------------------------------------#
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#-------------------------------------------------------------------------#
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# Creating the regions and filling them with atoms assigned to surge_group
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# Creating the regions and filling them with atoms assigned to surge_group
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@ -647,9 +650,9 @@ fix 2 all nve
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#restart 100000 ParticleRestart
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#restart 100000 ParticleRestart
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run 100000
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run 100000
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generated 0 of 91 mixed pair_coeff terms from geometric mixing rule
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Generated 0 of 91 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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update: every = 1 steps, delay = 0 steps, check = yes
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max neighbors/atom: 2000, page size: 100000
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 2.5255396
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master list distance cutoff = 2.5255396
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ghost atom cutoff = 2.5255396
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ghost atom cutoff = 2.5255396
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@ -660,53 +663,53 @@ Neighbor list info ...
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pair build: half/bin/atomonly/newton
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pair build: half/bin/atomonly/newton
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stencil: half/bin/3d
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stencil: half/bin/3d
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bin: standard
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 4.245 | 5.007 | 7.291 Mbytes
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Per MPI rank memory allocation (min/avg/max) = 4.685 | 6.044 | 7.403 Mbytes
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Step Temp E_pair E_mol TotEng Press
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Step Temp E_pair E_mol TotEng Press
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0 0 0 0 0 0
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0 0 0 0 0 0
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5000 29877588 4.6948567e-06 0 3.6195804e-05 3.987621e-12
|
5000 29842261 4.7942025e-06 0 3.6257904e-05 3.9879238e-12
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10000 27827776 7.2619763e-06 0 3.6601737e-05 4.407525e-12
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10000 28098061 7.2385794e-06 0 3.6863311e-05 4.4347259e-12
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15000 26336751 8.3045873e-06 0 3.6072311e-05 4.7591238e-12
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15000 26888635 8.1191579e-06 0 3.6468752e-05 4.7939026e-12
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||||||
20000 25052655 8.3618019e-06 0 3.477566e-05 5.0138704e-12
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20000 24887991 8.3385518e-06 0 3.4578799e-05 4.9862342e-12
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||||||
25000 23854604 8.149944e-06 0 3.3300657e-05 5.1772301e-12
|
25000 23265144 8.3946029e-06 0 3.2923828e-05 5.1750035e-12
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||||||
30000 21629039 8.0369285e-06 0 3.0841153e-05 5.3056994e-12
|
30000 21711263 7.6172235e-06 0 3.0508139e-05 5.2324506e-12
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||||||
35000 20550367 7.0527369e-06 0 2.8719681e-05 5.253199e-12
|
35000 20102910 7.2232838e-06 0 2.8418459e-05 5.2342282e-12
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||||||
40000 18310227 6.4085866e-06 0 2.5713675e-05 5.1263402e-12
|
40000 18634097 6.5402802e-06 0 2.6186836e-05 5.2128024e-12
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||||||
45000 16963286 5.9460113e-06 0 2.3830975e-05 5.0913287e-12
|
45000 17486541 5.6292406e-06 0 2.4065889e-05 5.0867315e-12
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||||||
50000 15639408 5.1326227e-06 0 2.1621777e-05 4.8649712e-12
|
50000 15741195 4.96711e-06 0 2.1563581e-05 4.8546007e-12
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||||||
55000 14004560 4.550004e-06 0 1.9315483e-05 4.6920784e-12
|
55000 14195280 4.6806146e-06 0 1.9647177e-05 4.7201162e-12
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||||||
60000 12777371 3.941146e-06 0 1.7412759e-05 4.4574594e-12
|
60000 12378448 3.8806954e-06 0 1.693171e-05 4.3985323e-12
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||||||
65000 10919170 3.3361501e-06 0 1.4848599e-05 4.1051819e-12
|
65000 10976639 3.3069428e-06 0 1.4879983e-05 4.1055737e-12
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||||||
70000 9469421.4 2.7031575e-06 0 1.2687087e-05 3.7302586e-12
|
70000 9434340 2.6574414e-06 0 1.2604384e-05 3.703813e-12
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||||||
75000 7926062.4 2.054775e-06 0 1.0411489e-05 3.3099123e-12
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75000 7827664.3 2.1262358e-06 0 1.0379206e-05 3.3234802e-12
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80000 6314071.7 1.5118865e-06 0 8.169025e-06 2.8050899e-12
|
80000 6487719.3 1.6234085e-06 0 8.4636294e-06 2.878629e-12
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||||||
85000 4847441.7 1.0803078e-06 0 6.1911288e-06 2.3005982e-12
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85000 4761145.2 1.1556952e-06 0 6.175531e-06 2.3647084e-12
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||||||
90000 3260324.1 6.858841e-07 0 4.1233536e-06 1.7789287e-12
|
90000 3196900 6.7497651e-07 0 4.0455759e-06 1.7461024e-12
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||||||
95000 1724645.4 3.1351302e-07 0 2.1318647e-06 1.1211538e-12
|
95000 1711466.2 3.2662861e-07 0 2.1310851e-06 1.1318791e-12
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100000 218390.81 4.4631827e-08 0 2.7488861e-07 3.8685559e-13
|
100000 217597.05 4.394432e-08 0 2.7336422e-07 3.7619707e-13
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Loop time of 647.752 on 4 procs for 100000 steps with 5092 atoms
|
Loop time of 131.294 on 4 procs for 100000 steps with 5092 atoms
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|
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100.0% CPU use with 4 MPI tasks x no OpenMP threads
|
99.0% CPU use with 4 MPI tasks x 1 OpenMP threads
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|
|
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MPI task timing breakdown:
|
MPI task timing breakdown:
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||||||
Section | min time | avg time | max time |%varavg| %total
|
Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
|
---------------------------------------------------------------
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Pair | 0.036284 | 19.922 | 79.572 | 771.6 | 3.08
|
Pair | 0.0045648 | 9.3721 | 18.946 | 306.0 | 7.14
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Neigh | 10.175 | 17.392 | 38.739 | 295.5 | 2.69
|
Neigh | 2.8643 | 5.951 | 9.063 | 125.7 | 4.53
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Comm | 0.97616 | 1.0979 | 1.2312 | 8.6 | 0.17
|
Comm | 0.3616 | 0.90559 | 1.7801 | 61.8 | 0.69
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Output | 0.0043794 | 0.098646 | 0.13021 | 17.3 | 0.02
|
Output | 0.00058742 | 0.013642 | 0.026668 | 11.2 | 0.01
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Modify | 1.2262 | 132.11 | 524.58 |1971.4 | 20.39
|
Modify | 0.17841 | 50.602 | 101.42 | 708.8 | 38.54
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Other | | 477.1 | | | 73.66
|
Other | | 64.45 | | | 49.09
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|
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Nlocal: 1273 ave 5092 max 0 min
|
Nlocal: 1273 ave 2549 max 0 min
|
||||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||||
Nghost: 0 ave 0 max 0 min
|
Nghost: 247 ave 496 max 0 min
|
||||||
Histogram: 4 0 0 0 0 0 0 0 0 0
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
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Neighs: 19856 ave 79424 max 0 min
|
Neighs: 19929 ave 39908 max 0 min
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Histogram: 3 0 0 0 0 0 0 0 0 1
|
Histogram: 2 0 0 0 0 0 0 0 0 2
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|
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Total # of neighbors = 79424
|
Total # of neighbors = 79716
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Ave neighs/atom = 15.5978
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Ave neighs/atom = 15.655145
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Neighbor list builds = 4946
|
Neighbor list builds = 4954
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Dangerous builds = 0
|
Dangerous builds = 0
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|
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unfix 1
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unfix 1
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@ -743,114 +746,114 @@ fix 3 all langevin 100000.0 5000.0 100.0 5678
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fix 2 all nve
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fix 2 all nve
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|
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run 200000
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run 200000
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generated 0 of 91 mixed pair_coeff terms from geometric mixing rule
|
Generated 0 of 91 mixed pair_coeff terms from geometric mixing rule
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||||||
Per MPI rank memory allocation (min/avg/max) = 4.418 | 5.179 | 7.463 Mbytes
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Per MPI rank memory allocation (min/avg/max) = 4.966 | 6.325 | 7.684 Mbytes
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Step Temp E_pair E_mol TotEng Press
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Step Temp E_pair E_mol TotEng Press
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||||||
100000 218390.81 0 0 2.3025679e-07 2.3133759e-14
|
100000 217597.05 0 0 2.294199e-07 2.3049678e-14
|
||||||
105000 103860.18 6.708614e-08 0 1.7658943e-07 6.9220989e-13
|
105000 105542.67 6.5899047e-08 0 1.7717623e-07 6.9064382e-13
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||||||
110000 97287.339 7.0116647e-08 0 1.7268996e-07 7.4104867e-13
|
110000 96801.947 6.6329049e-08 0 1.683906e-07 7.0960381e-13
|
||||||
115000 92211.102 6.7456604e-08 0 1.6467788e-07 7.2196879e-13
|
115000 93283.767 6.4052852e-08 0 1.6240507e-07 7.0033324e-13
|
||||||
120000 91577.119 6.8360083e-08 0 1.6491292e-07 7.3664397e-13
|
120000 90930.59 6.3799892e-08 0 1.5967108e-07 7.0244972e-13
|
||||||
125000 89670.176 6.7876707e-08 0 1.6241899e-07 7.29547e-13
|
125000 90114.178 6.3511381e-08 0 1.5852179e-07 7.1128852e-13
|
||||||
130000 87135.819 6.6698539e-08 0 1.5856877e-07 7.296178e-13
|
130000 83917.505 6.279089e-08 0 1.5126794e-07 6.9980391e-13
|
||||||
135000 84795.008 6.3054439e-08 0 1.5245667e-07 7.1371044e-13
|
135000 84057.326 6.269189e-08 0 1.5131636e-07 7.1046329e-13
|
||||||
140000 81222.266 6.4732255e-08 0 1.5036763e-07 7.2429578e-13
|
140000 80989.747 6.2166941e-08 0 1.4755716e-07 7.0822238e-13
|
||||||
145000 78548.301 6.3633278e-08 0 1.464494e-07 7.1795316e-13
|
145000 79082.787 5.999291e-08 0 1.4337256e-07 7.0169908e-13
|
||||||
150000 76597.034 6.3093645e-08 0 1.4385248e-07 7.1457515e-13
|
150000 76377.704 6.0983734e-08 0 1.4151132e-07 7.0803269e-13
|
||||||
155000 73820.896 6.0685032e-08 0 1.3851689e-07 7.1093329e-13
|
155000 74642.465 5.8016291e-08 0 1.3671435e-07 6.8979034e-13
|
||||||
160000 71360.569 6.2615029e-08 0 1.3785288e-07 7.2019292e-13
|
160000 71320.499 5.8203836e-08 0 1.3339944e-07 6.9671842e-13
|
||||||
165000 67879.165 5.9691015e-08 0 1.3125831e-07 7.0403501e-13
|
165000 69769.632 5.8523021e-08 0 1.3208349e-07 6.9774909e-13
|
||||||
170000 66641.482 5.9273104e-08 0 1.2953546e-07 7.0719355e-13
|
170000 67002.509 5.6265118e-08 0 1.2690812e-07 6.8640935e-13
|
||||||
175000 65623.831 6.011737e-08 0 1.2930679e-07 7.1498836e-13
|
175000 65045.732 5.5231406e-08 0 1.2381131e-07 6.8623008e-13
|
||||||
180000 63627.376 5.8380162e-08 0 1.2546465e-07 7.0457247e-13
|
180000 62633.05 5.3858988e-08 0 1.1989512e-07 6.7679278e-13
|
||||||
185000 60865.93 5.8039489e-08 0 1.2221249e-07 7.1190327e-13
|
185000 60510.328 5.3138189e-08 0 1.1693627e-07 6.7838603e-13
|
||||||
190000 57329.276 5.8432616e-08 0 1.188768e-07 7.1940596e-13
|
190000 56958.939 5.3092173e-08 0 1.131459e-07 6.7336019e-13
|
||||||
195000 54829.503 5.6354458e-08 0 1.1416305e-07 7.0364147e-13
|
195000 55591.155 5.1736031e-08 0 1.1034766e-07 6.6906721e-13
|
||||||
200000 52720.064 5.4124289e-08 0 1.0970883e-07 6.935829e-13
|
200000 53009.069 5.0934685e-08 0 1.0682393e-07 6.7160648e-13
|
||||||
205000 50368.95 5.4872306e-08 0 1.0797799e-07 7.0426031e-13
|
205000 50806.268 5.1266492e-08 0 1.0483325e-07 6.7042981e-13
|
||||||
210000 47452.093 5.3729225e-08 0 1.0375956e-07 6.994635e-13
|
210000 47438.734 4.9024426e-08 0 9.9040681e-08 6.6234011e-13
|
||||||
215000 45119.016 5.4481066e-08 0 1.0205156e-07 7.1418206e-13
|
215000 45998.084 4.7751227e-08 0 9.6248556e-08 6.5536559e-13
|
||||||
220000 43023.929 5.2752651e-08 0 9.8114229e-08 6.9834508e-13
|
220000 43057.946 4.7441717e-08 0 9.2839159e-08 6.6414744e-13
|
||||||
225000 40153.742 5.1097395e-08 0 9.3432837e-08 6.9738856e-13
|
225000 41339.318 4.6636471e-08 0 9.0221906e-08 6.5621184e-13
|
||||||
230000 39369.117 5.0504151e-08 0 9.2012337e-08 6.894872e-13
|
230000 37991.695 4.5885529e-08 0 8.5941452e-08 6.5311348e-13
|
||||||
235000 36113.296 4.9984145e-08 0 8.8059609e-08 6.9525606e-13
|
235000 36765.626 4.4005371e-08 0 8.2768609e-08 6.4411688e-13
|
||||||
240000 33557.343 4.74199e-08 0 8.2800537e-08 6.782253e-13
|
240000 33633.564 4.3031845e-08 0 7.8492844e-08 6.411006e-13
|
||||||
245000 31543.784 4.6897571e-08 0 8.0155245e-08 6.7496202e-13
|
245000 31441.462 4.186446e-08 0 7.5014252e-08 6.3558893e-13
|
||||||
250000 29448.798 4.5972171e-08 0 7.702103e-08 6.6988749e-13
|
250000 28346.474 4.1330305e-08 0 7.1216947e-08 6.3547167e-13
|
||||||
255000 26258.805 4.522174e-08 0 7.2907283e-08 6.7773348e-13
|
255000 26485.436 4.0303887e-08 0 6.8228374e-08 6.3491378e-13
|
||||||
260000 24024.155 4.4693255e-08 0 7.002273e-08 6.7584518e-13
|
260000 24251.816 3.8404659e-08 0 6.3974165e-08 6.2184492e-13
|
||||||
265000 22118.293 4.3984189e-08 0 6.730425e-08 6.7927214e-13
|
265000 21588.99 3.8470221e-08 0 6.1232221e-08 6.3046737e-13
|
||||||
270000 20024.409 4.2544987e-08 0 6.3657396e-08 6.8136681e-13
|
270000 19476.088 3.7190768e-08 0 5.7725063e-08 6.2042977e-13
|
||||||
275000 17107.549 4.1072236e-08 0 5.9109301e-08 6.666371e-13
|
275000 17402.215 3.719862e-08 0 5.5546362e-08 6.3332028e-13
|
||||||
280000 14749.603 4.0000425e-08 0 5.5551428e-08 6.613669e-13
|
280000 14911.078 3.5602533e-08 0 5.1323785e-08 6.2734446e-13
|
||||||
285000 12500.706 4.0279102e-08 0 5.3459018e-08 6.8142024e-13
|
285000 12478.751 3.4819713e-08 0 4.7976481e-08 6.2920228e-13
|
||||||
290000 10030.224 3.8370444e-08 0 4.8945647e-08 6.7352743e-13
|
290000 10052.548 3.3720905e-08 0 4.4319645e-08 6.2607642e-13
|
||||||
295000 7601.7068 3.723413e-08 0 4.5248866e-08 6.6989317e-13
|
295000 7653.5468 3.190337e-08 0 3.9972762e-08 6.210325e-13
|
||||||
300000 5231.1956 3.5917594e-08 0 4.143302e-08 6.6679331e-13
|
300000 5240.5437 3.0902841e-08 0 3.6428123e-08 6.2021355e-13
|
||||||
Loop time of 1070.02 on 4 procs for 200000 steps with 5092 atoms
|
Loop time of 240.576 on 4 procs for 200000 steps with 5092 atoms
|
||||||
|
|
||||||
100.0% CPU use with 4 MPI tasks x no OpenMP threads
|
99.1% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||||
|
|
||||||
MPI task timing breakdown:
|
MPI task timing breakdown:
|
||||||
Section | min time | avg time | max time |%varavg| %total
|
Section | min time | avg time | max time |%varavg| %total
|
||||||
---------------------------------------------------------------
|
---------------------------------------------------------------
|
||||||
Pair | 0.057981 | 36.178 | 144.53 |1040.0 | 3.38
|
Pair | 0.0094455 | 19.351 | 39.054 | 439.7 | 8.04
|
||||||
Neigh | 0.25871 | 0.37261 | 0.69124 | 30.2 | 0.03
|
Neigh | 0.069968 | 0.11626 | 0.16266 | 13.6 | 0.05
|
||||||
Comm | 0.47965 | 0.49514 | 0.51697 | 2.1 | 0.05
|
Comm | 0.10053 | 0.88025 | 1.9201 | 85.4 | 0.37
|
||||||
Output | 0.0064233 | 0.16356 | 0.21598 | 22.4 | 0.02
|
Output | 0.0012827 | 0.02596 | 0.050595 | 15.3 | 0.01
|
||||||
Modify | 0.21709 | 229.82 | 918.61 |2623.2 | 21.48
|
Modify | 0.03084 | 98.954 | 197.96 | 994.4 | 41.13
|
||||||
Other | | 803 | | | 75.04
|
Other | | 121.2 | | | 50.40
|
||||||
|
|
||||||
Nlocal: 1273 ave 5092 max 0 min
|
Nlocal: 1273 ave 2547 max 0 min
|
||||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||||
Nghost: 0 ave 0 max 0 min
|
Nghost: 175 ave 360 max 0 min
|
||||||
Histogram: 4 0 0 0 0 0 0 0 0 0
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||||
Neighs: 19214.5 ave 76858 max 0 min
|
Neighs: 19108 ave 38228 max 0 min
|
||||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||||
|
|
||||||
Total # of neighbors = 76858
|
Total # of neighbors = 76432
|
||||||
Ave neighs/atom = 15.093873
|
Ave neighs/atom = 15.010212
|
||||||
Neighbor list builds = 116
|
Neighbor list builds = 114
|
||||||
Dangerous builds = 0
|
Dangerous builds = 0
|
||||||
|
|
||||||
minimize 0.0 1.0e-8 1000 100000
|
minimize 0.0 1.0e-8 1000 100000
|
||||||
generated 0 of 91 mixed pair_coeff terms from geometric mixing rule
|
Generated 0 of 91 mixed pair_coeff terms from geometric mixing rule
|
||||||
Per MPI rank memory allocation (min/avg/max) = 4.418 | 5.461 | 8.588 Mbytes
|
Per MPI rank memory allocation (min/avg/max) = 4.966 | 6.887 | 8.809 Mbytes
|
||||||
Step Temp E_pair E_mol TotEng Press
|
Step Temp E_pair E_mol TotEng Press
|
||||||
300000 5231.1956 3.5917594e-08 0 4.143302e-08 6.6679331e-13
|
300000 5240.5437 3.0902841e-08 0 3.6428123e-08 6.2021355e-13
|
||||||
301000 5231.1956 3.591074e-08 0 4.1426165e-08 6.6674716e-13
|
301000 5240.5437 3.0896022e-08 0 3.6421304e-08 6.2016488e-13
|
||||||
Loop time of 5.73822 on 4 procs for 1000 steps with 5092 atoms
|
Loop time of 1.30229 on 4 procs for 1000 steps with 5092 atoms
|
||||||
|
|
||||||
100.0% CPU use with 4 MPI tasks x no OpenMP threads
|
99.2% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||||
|
|
||||||
Minimization stats:
|
Minimization stats:
|
||||||
Stopping criterion = max iterations
|
Stopping criterion = max iterations
|
||||||
Energy initial, next-to-last, final =
|
Energy initial, next-to-last, final =
|
||||||
3.59175937800124e-08 3.59107465269502e-08 3.59107396814365e-08
|
3.09028409031651e-08 3.08960287166428e-08 3.08960219060082e-08
|
||||||
Force two-norm initial, final = 8.3566626e-08 8.3465615e-08
|
Force two-norm initial, final = 8.2667468e-08 8.2568929e-08
|
||||||
Force max component initial, final = 3.1363101e-09 3.1301201e-09
|
Force max component initial, final = 2.9188021e-09 2.9146337e-09
|
||||||
Final line search alpha, max atom move = 1 3.1301201e-09
|
Final line search alpha, max atom move = 1 2.9146337e-09
|
||||||
Iterations, force evaluations = 1000 1000
|
Iterations, force evaluations = 1000 1000
|
||||||
|
|
||||||
MPI task timing breakdown:
|
MPI task timing breakdown:
|
||||||
Section | min time | avg time | max time |%varavg| %total
|
Section | min time | avg time | max time |%varavg| %total
|
||||||
---------------------------------------------------------------
|
---------------------------------------------------------------
|
||||||
Pair | 0.0003564 | 0.3119 | 1.2465 | 96.6 | 5.44
|
Pair | 5.6358e-05 | 0.14395 | 0.28791 | 37.9 | 11.05
|
||||||
Neigh | 0 | 0 | 0 | 0.0 | 0.00
|
Neigh | 0 | 0 | 0 | 0.0 | 0.00
|
||||||
Comm | 0.0007532 | 0.00080708 | 0.000957 | 0.0 | 0.01
|
Comm | 0.00010928 | 0.0035209 | 0.0074675 | 5.8 | 0.27
|
||||||
Output | 4.88e-05 | 6.4775e-05 | 0.0001121 | 0.0 | 0.00
|
Output | 1.9357e-05 | 2.0372e-05 | 2.2403e-05 | 0.0 | 0.00
|
||||||
Modify | 0.0004412 | 1.0758 | 4.3017 | 179.6 | 18.75
|
Modify | 4.6032e-05 | 0.4419 | 0.88539 | 66.5 | 33.93
|
||||||
Other | | 4.35 | | | 75.80
|
Other | | 0.7129 | | | 54.74
|
||||||
|
|
||||||
Nlocal: 1273 ave 5092 max 0 min
|
Nlocal: 1273 ave 2547 max 0 min
|
||||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||||
Nghost: 0 ave 0 max 0 min
|
Nghost: 175 ave 360 max 0 min
|
||||||
Histogram: 4 0 0 0 0 0 0 0 0 0
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||||
Neighs: 19216 ave 76864 max 0 min
|
Neighs: 19105.5 ave 38227 max 0 min
|
||||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
||||||
|
|
||||||
Total # of neighbors = 76864
|
Total # of neighbors = 76422
|
||||||
Ave neighs/atom = 15.095051
|
Ave neighs/atom = 15.008248
|
||||||
Neighbor list builds = 0
|
Neighbor list builds = 0
|
||||||
Dangerous builds = 0
|
Dangerous builds = 0
|
||||||
|
|
||||||
@ -884,22 +887,25 @@ pair_style lj/cut 1.2
|
|||||||
pair_coeff * * 0.0 0.0
|
pair_coeff * * 0.0 0.0
|
||||||
|
|
||||||
timestep 0.025
|
timestep 0.025
|
||||||
|
if "$(is_defined(dump,mydump))" then "undump mydump"
|
||||||
|
|
||||||
reset_timestep 0
|
reset_timestep 0
|
||||||
|
|
||||||
|
#dump mydump all atom 10000 run.lammpstrj
|
||||||
#variable total_force equal 0.2
|
#variable total_force equal 0.2
|
||||||
#variable node_force equal "v_total_force / 178"
|
#variable node_force equal "v_total_force / 178"
|
||||||
#fix drag all addforce 0.0 0.0 0.0
|
#fix drag all addforce 0.0 0.0 0.0
|
||||||
|
|
||||||
velocity all set 0.0 -7.5.0 0.0 units box
|
velocity all set 0.0 -7.5 0.0 units box
|
||||||
|
|
||||||
# viscosity of air is 0.0001847
|
# viscosity of air is 0.0001847
|
||||||
|
|
||||||
fix FL all lb/fluid 1 0.0002 ${density} stencil 2 dx ${dx} zwall_velocity 0 0 # dumpxdmf 1000 sflow 0
|
fix FL all lb/fluid 1 0.0002 ${density} stencil 2 dx ${dx} zwall_velocity 0 0 # dumpxdmf 1000 sflow 0
|
||||||
fix FL all lb/fluid 1 0.0002 0.001184 stencil 2 dx ${dx} zwall_velocity 0 0
|
fix FL all lb/fluid 1 0.0002 0.001184 stencil 2 dx ${dx} zwall_velocity 0 0
|
||||||
fix FL all lb/fluid 1 0.0002 0.001184 stencil 2 dx 1 zwall_velocity 0 0
|
fix FL all lb/fluid 1 0.0002 0.001184 stencil 2 dx 1 zwall_velocity 0 0
|
||||||
Using a lattice-Boltzmann grid of 96 by 720 by 97 total grid points. (../fix_lb_fluid.cpp:486)
|
Using a lattice-Boltzmann grid of 96 by 720 by 97 points.
|
||||||
Local Grid Geometry created. (../fix_lb_fluid.cpp:1018)
|
Local Grid Geometry created.
|
||||||
|
First Run initialized
|
||||||
|
|
||||||
variable vx equal vcm(all,x)
|
variable vx equal vcm(all,x)
|
||||||
variable vy equal vcm(all,y)
|
variable vy equal vcm(all,y)
|
||||||
@ -925,11 +931,11 @@ CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
|||||||
|
|
||||||
Your simulation uses code contributions which should be cited:
|
Your simulation uses code contributions which should be cited:
|
||||||
|
|
||||||
- fix lb/fluid command:
|
- fix lb/fluid command: doi:10.1016/j.cpc.2022.108318
|
||||||
|
|
||||||
@Article{Denniston et al.,
|
@Article{Denniston et al.,
|
||||||
author = {C. Denniston, N. Afrasiabian, M.G. Cole-Andre,F.E. Mackay, S.T.T. Ollila, T. Whitehead},
|
author = {C. Denniston and N. Afrasiabian and M. G. Cole-Andre, F. E. Mackay and S. T. T. Ollila and T. Whitehead},
|
||||||
title = {LAMMPS lb/fluid fix version 2: Improved Hydrodynamic Forces Implemented into LAMMPS through a lattice-Boltzmann fluid}, journal = {Comp.~Phys.~Comm.},
|
title = {{LAMMPS} lb/fluid fix version 2: Improved Hydrodynamic Forces Implemented into {LAMMPS} Through a Lattice-{B}oltzmann Fluid}, journal = {Comput.\ Phys.\ Commun.},
|
||||||
year = 2022,
|
year = 2022,
|
||||||
volume = 275,
|
volume = 275,
|
||||||
pages = {108318}
|
pages = {108318}
|
||||||
@ -937,9 +943,9 @@ Your simulation uses code contributions which should be cited:
|
|||||||
|
|
||||||
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
||||||
|
|
||||||
generated 0 of 91 mixed pair_coeff terms from geometric mixing rule
|
Generated 0 of 91 mixed pair_coeff terms from geometric mixing rule
|
||||||
Neighbor list info ...
|
Neighbor list info ...
|
||||||
update every 1 steps, delay 0 steps, check yes
|
update: every = 1 steps, delay = 0 steps, check = yes
|
||||||
max neighbors/atom: 2000, page size: 100000
|
max neighbors/atom: 2000, page size: 100000
|
||||||
master list distance cutoff = 1.7
|
master list distance cutoff = 1.7
|
||||||
ghost atom cutoff = 3
|
ghost atom cutoff = 3
|
||||||
@ -950,85 +956,15 @@ Neighbor list info ...
|
|||||||
pair build: half/bin/atomonly/newton
|
pair build: half/bin/atomonly/newton
|
||||||
stencil: half/bin/3d
|
stencil: half/bin/3d
|
||||||
bin: standard
|
bin: standard
|
||||||
Per MPI rank memory allocation (min/avg/max) = 13.03 | 14.01 | 16.94 Mbytes
|
Per MPI rank memory allocation (min/avg/max) = 14.67 | 16.66 | 18.64 Mbytes
|
||||||
Step v_number_all v_node_mass f_FL[2] f_5[1] f_5[2] f_5[3]
|
Step v_number_all v_node_mass f_FL[2] f_5[1] f_5[2] f_5[3]
|
||||||
0 5092 98.193244 265447.33 0 0 0
|
0 5092 98.193244 265447.33 0 0 0
|
||||||
100 5092 98.193244 265447.33 -0.62398934 11.636864 -1.4385266
|
100 5092 98.193244 265447.33 0.42848502 10.910894 -2.3324154
|
||||||
200 5092 98.193244 265447.33 -0.0067390379 12.774129 0.77152356
|
200 5092 98.193244 265447.33 -0.02627078 13.323497 0.5134388
|
||||||
300 5092 98.193244 265447.33 -0.016866727 11.816838 0.164604
|
300 5092 98.193244 265447.33 0.33955198 12.017917 0.07308431
|
||||||
400 5092 98.193244 265447.33 -0.099751559 14.292633 3.5403419
|
400 5092 98.193244 265447.33 0.28511704 14.563626 3.4626969
|
||||||
500 5092 98.193244 265447.33 0.020826826 12.371064 3.4680188
|
500 5092 98.193244 265447.33 -0.080267505 11.795121 3.266271
|
||||||
600 5092 98.193244 265447.33 -0.12187023 10.702747 0.7831029
|
600 5092 98.193244 265447.33 0.11024837 10.763593 0.68027763
|
||||||
700 5092 98.193244 265447.33 -0.075493864 10.829418 0.98211649
|
700 5092 98.193244 265447.33 0.22058041 10.773118 1.1020572
|
||||||
800 5092 98.193244 265447.33 -0.11468917 12.399304 1.7926202
|
800 5092 98.193244 265447.33 0.26569373 12.841207 1.7015156
|
||||||
900 5092 98.193244 265447.33 -0.068927619 11.055182 2.4723876
|
900 5092
|
||||||
1000 5092 98.193244 265447.33 -0.069248548 10.39473 1.5087726
|
|
||||||
1100 5092 98.193244 265447.33 0.065523336 9.4891653 1.3947719
|
|
||||||
1200 5092 98.193244 265447.33 -0.044004235 11.847192 2.5397604
|
|
||||||
1300 5092 98.193244 265447.33 0.040137088 10.997654 2.8832378
|
|
||||||
1400 5092 98.193244 265447.33 0.067812628 10.154351 3.4014094
|
|
||||||
1500 5092 98.193244 265447.33 0.026101525 10.034855 2.5467227
|
|
||||||
1600 5092 98.193244 265447.33 0.023101669 11.834913 2.9961902
|
|
||||||
1700 5092 98.193244 265447.33 -0.016678555 11.057297 1.1303356
|
|
||||||
1800 5092 98.193244 265447.33 0.038804941 9.2005261 3.2383612
|
|
||||||
1900 5092 98.193244 265447.33 0.045475707 8.592855 2.7327399
|
|
||||||
2000 5092 98.193244 265447.33 0.0029052791 11.37239 1.650534
|
|
||||||
2100 5092 98.193244 265447.33 0.0021721335 10.534175 1.4627128
|
|
||||||
2200 5092 98.193244 265447.33 0.033545767 9.6499738 1.7555886
|
|
||||||
2300 5092 98.193244 265447.33 0.037477935 10.604272 2.6811451
|
|
||||||
2400 5092 98.193244 265447.33 0.013734867 9.5032009 3.4535601
|
|
||||||
2500 5092 98.193244 265447.33 -0.074779755 10.655833 2.4798429
|
|
||||||
2600 5092 98.193244 265447.33 -0.03912509 9.9731913 1.3805939
|
|
||||||
2700 5092 98.193244 265447.33 0.084748343 9.6155874 1.9680204
|
|
||||||
2800 5092 98.193244 265447.33 0.004716293 11.060178 2.3097572
|
|
||||||
2900 5092 98.193244 265447.33 -0.01716838 10.851167 1.2315357
|
|
||||||
3000 5092 98.193244 265447.33 0.0089978545 10.101686 1.6655875
|
|
||||||
3100 5092 98.193244 265447.33 0.10214007 9.8489205 1.3991661
|
|
||||||
3200 5092 98.193244 265447.33 0.030416619 10.303674 2.8620249
|
|
||||||
3300 5092 98.193244 265447.33 -0.080891033 10.665193 1.6805084
|
|
||||||
3400 5092 98.193244 265447.33 0.011781712 10.916621 0.79341262
|
|
||||||
3500 5092 98.193244 265447.33 0.050815855 9.5573732 0.40493186
|
|
||||||
3600 5092 98.193244 265447.33 -0.017225395 10.438887 2.303509
|
|
||||||
3700 5092 98.193244 265447.33 0.0042521202 9.8119963 3.1057822
|
|
||||||
3800 5092 98.193244 265447.33 0.037295562 9.3673981 2.2084367
|
|
||||||
3900 5092 98.193244 265447.33 0.053448378 8.9799381 1.9075618
|
|
||||||
4000 5092 98.193244 265447.33 0.039518888 10.999985 2.2441035
|
|
||||||
4100 5092 98.193244 265447.33 -0.022548252 10.07084 1.7986935
|
|
||||||
4200 5092 98.193244 265447.33 0.093070808 8.8837865 1.8491384
|
|
||||||
4300 5092 98.193244 265447.33 0.16605392 10.080625 2.3851261
|
|
||||||
4400 5092 98.193244 265447.33 0.071707012 11.041363 1.3512251
|
|
||||||
4500 5092 98.193244 265447.33 -0.044985642 10.590977 0.89464128
|
|
||||||
4600 5092 98.193244 265447.33 0.010801743 9.745945 1.3254718
|
|
||||||
4700 5092 98.193244 265447.33 0.11301693 9.8629299 1.2450238
|
|
||||||
4800 5092 98.193244 265447.33 0.29083508 10.35163 1.6481913
|
|
||||||
4900 5092 98.193244 265447.33 0.274316 9.7650593 1.6979411
|
|
||||||
5000 5092 98.193244 265447.33 -0.041118665 9.9508487 1.7688687
|
|
||||||
Loop time of 5880.47 on 4 procs for 5000 steps with 5092 atoms
|
|
||||||
|
|
||||||
100.0% CPU use with 4 MPI tasks x no OpenMP threads
|
|
||||||
|
|
||||||
MPI task timing breakdown:
|
|
||||||
Section | min time | avg time | max time |%varavg| %total
|
|
||||||
---------------------------------------------------------------
|
|
||||||
Pair | 0.8823 | 1.2112 | 1.6656 | 29.1 | 0.02
|
|
||||||
Neigh | 22.261 | 23.161 | 24.045 | 15.0 | 0.39
|
|
||||||
Comm | 1.1838 | 1.3636 | 1.6084 | 14.2 | 0.02
|
|
||||||
Output | 0.99304 | 0.99848 | 1.0061 | 0.5 | 0.02
|
|
||||||
Modify | 5850 | 5851.7 | 5853.1 | 1.6 | 99.51
|
|
||||||
Other | | 2.046 | | | 0.03
|
|
||||||
|
|
||||||
Nlocal: 1273 ave 5092 max 0 min
|
|
||||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
|
||||||
Nghost: 0 ave 0 max 0 min
|
|
||||||
Histogram: 4 0 0 0 0 0 0 0 0 0
|
|
||||||
Neighs: 8835 ave 35340 max 0 min
|
|
||||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
|
||||||
|
|
||||||
Total # of neighbors = 35340
|
|
||||||
Ave neighs/atom = 6.9402985
|
|
||||||
Neighbor list builds = 2500
|
|
||||||
Dangerous builds = 0
|
|
||||||
|
|
||||||
|
|
||||||
#-------------------------------------------------------------------------#
|
|
||||||
Total wall time: 2:06:45
|
|
||||||
Reference in New Issue
Block a user